N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C22H25N5O2 — CID 156586469

IUPACN-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCOc1cccc2ccc(N3CCc4nc(C(=O)NC5CCC5)cn4CC3)nc12
InChIInChI=1S/C22H25N5O2/c1-29-18-7-2-4-15-8-9-19(25-21(15)18)26-11-10-20-24-17(14-27(20)13-12-26)22(28)23-16-5-3-6-16/h2,4,7-9,14,16H,3,5-6,10-13H2,1H3,(H,23,28)
InChIKeyBHMXSLIDHODCAL-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.78
Rot. Bonds4

About N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 156586469) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID156586469
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCOc1cccc2ccc(N3CCc4nc(C(=O)NC5CCC5)cn4CC3)nc12
InChIInChI=1S/C22H25N5O2/c1-29-18-7-2-4-15-8-9-19(25-21(15)18)26-11-10-20-24-17(14-27(20)13-12-26)22(28)23-16-5-3-6-16/h2,4,7-9,14,16H,3,5-6,10-13H2,1H3,(H,23,28)
InChIKeyBHMXSLIDHODCAL-UHFFFAOYSA-N
XLogP2.78
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 156586469) is N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is COc1cccc2ccc(N3CCc4nc(C(=O)NC5CCC5)cn4CC3)nc12.
What is the InChIKey of N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is BHMXSLIDHODCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-18-7-2-4-15-8-9-19(25-21(15)18)26-11-10-20-24-17(14-27(20)13-12-26)22(28)23-16-5-3-6-16/h2,4,7-9,14,16H,3,5-6,10-13H2,1H3,(H,23,28).
What are the key properties of N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-7-(8-methoxyquinolin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 156586469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).